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  • PSI Scientific Report 2008

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  • Cover photo:

    Control room of the Low Emittance

    Gun test stand, where critical

    components for XFEL‘s electron

    source are being tested.

  • PSI Scientific Report 2008

  • PSI Scientific Report 2008

    Published byPaul Scherrer Institute

    EditorPaul Piwnicki

    English language editingTrevor Dury

    CoordinationEvelyne Gisler

    Design and LayoutMonika Blétry

    Photographs© Paul Scherrer Institute

    Printing Ostschweiz Druck AG, Wittenbach

    Available fromPaul Scherrer InstituteCommunications Services5232 Villigen PSI, SwitzerlandPhone +41 (0)56 310 21 11www.psi.ch

    PSI public [email protected]

    Communications officerDagmar Baroke

    ISSN 1662-1719

    Copying is welcomed, provided the source is acknowledged and an archive copy sent to PSI.

    Paul Scherrer Institute, April 2009

  • 4 Building on our past to prepare our future

    Foreword from the director

    7 PSI-XFEL

    17 Research focus and highlights

    18 Synchrotron light

    28 Neutrons and muons

    36 Particle physics and nuclear chemistry

    42 Micro- and nanotechnology

    46 Biomolecular research

    50 Radiopharmacy

    54 Large research facilities

    56 Proton therapy

    60 General energy

    70 CCEM-CH

    72 Nuclear energy and safety

    84 Environment and energy systems analysis

    91 User facilities

    92 PSI accelerators

    96 Swiss Light Source SLS

    98 Spallation Neutron Source SINQ

    100 Swiss Muon Source SµS

    101 Ultra-Cold Neutron Source

    102 Tandem accelerator

    105 Technology transfer

    113 Facts and figures

    114 The year 2008 in numbers

    116 Commission and committees

    119 Publications

    Table of contents 3

  • The year 2008 marked the 20th anniversary of the Paul Scher-

    rer Institute, PSI, and my colleagues seized the opportunity

    to organise and run several special events during the year,

    with the ultimate goal of giving the Institute a higher visibil-

    ity in the neighbourhood, among critical non-scientific stake-

    holders and within Switzerland in general. At the same time,

    important scientific and technological results have been ob-

    tained, of which you will learn more in this report. Finally, 2008

    was also a special year for me, as I was honoured with the

    Directorship of the Institute.

    20 years Paul Scherrer Institute

    In 1988, PSI was founded by the merger of the Swiss Institute

    for Nuclear Research and the Federal Institute for Reactor

    Research. The cultures of both institutes were very different

    at that time, making a new, joint beginning quite difficult.

    However, from today’s point of view, the amalgamation was

    the right decision: With the focus on the research areas of

    solid-state research and materials sciences, particle physics,

    life sciences, energy research and environmental research,

    a sagacious decision can be judged to have been made.

    Nowadays, PSI’s concept of focusing on its large-scale facilities

    – the neutron and muon sources around the proton accelera-

    tor and the Swiss Light Source SLS – is considered a success.

    The Institute focuses, on the one hand, on providing service

    for external research groups, which receive the support they

    need as they use the facilities, beamlines and research instru-

    ments, whereby it is our strategy to excel in a number of se-

    lected disciplines, rather than trying to serve the needs of all

    users. On the other hand, PSI’s own research concentrates on

    those research topics where an advantage in terms of inter-

    national competition can be gained by employing our own

    in-house large-scale and complex research equipments.

    In addition, PSI’s own research on the complex research equip-

    ment itself results in the acquisition of experience that can be

    used to develop our facilities still further, maintaining the

    latter’s ability to compete internationally.

    Three requirements that are essential for success

    PSI serves as a successful example of how a research insti -

    tute can continue to be an internationally acknowledged

    scientific hub by simply remaining flexible and thus safe-

    guarding its own existence. Three prerequisites are essential

    for this:

    Firstly, a well-defined scientific goal and a clear understanding

    of the Institute’s role in the Swiss research landscape, espe-

    cially its relationship with the universities; secondly, political

    decision-makers who understand the importance of basic

    and applied research for the progress of society, and conse-

    quently support us; thirdly, excellent staff. Only with highly

    qualified, experienced and motivated personnel is success in

    performing cutting-edge research possible.

    Based on these three factors, within the course of the last

    20 years PSI has been able on the one hand to generate out-

    standing fundamental research results and on the other hand

    to develop key technologies and introduce them successfully

    to the market. To give you two examples:

    Firstly, the development of compact accelerators for the pro-

    ton therapy of tumours. PSI is a technology leader in this area,

    and recent developments can be seen on page 56. Several

    Building on our past to prepare our future

  • hospitals have already expressed their intention to establish

    this technology on their own sites.

    And secondly, we have developed detectors that are orders

    of magnitude more sensitive than those existing previously.

    One such example is the MYTHEN X-ray detector, which is

    presented on page 26. In combination with recent develop-

    ments at the SLS, MYTHEN is opening up wholly new perspec-

    tives for diffraction experiments.

    Both products have already been successfully introduced to

    the market. It should, however, not go unmentioned that both

    technologies are the belated offspring of the basic research

    undertaken in the field of particle physics. As such, they are

    the results of a development phase of more than 20 years.

    Where else would such a long-term endeavour be possible, if

    not at a publicly funded research institute?

    Interesting and surprising findings

    As to our scientific achievements in 2008, let me just highlight

    a couple, details of which you will find in the individual chap-

    ters in this report: Interesting and even surprising findings

    around superconductivity and magnetism revealed using

    neutron scattering and muon spin resonance accompanied us

    throughout the year (p.28–31); using the high spatial resolu-

    tion of synchrotron light at the SLS it was possible on the one

    hand to create new nano-structures (p.42–45) and on the

    other hand to reveal microscopic details of the functioning of

    photo-catalysts (p.20), fuel cells (p.68) and bio-molecules

    (p.23) with unprecedented accuracy. To complement the work

    performed at our large-scale facilities, various complemen-

    tary methods are currently developed in Biology, Energy, or

    Environmental Sciences. For example, by using selected iso-

    topes it is now possible to date glacier ice with unequalled

    precision (p.40), to enhance the NMR sensitivity for potential

    medical diagnosis (p.32), to develop efficient SPECT tracers

    (p.50), or to assess the long-term safety of radioactive waste

    repositories (p.82). On the operational side of the PSI accel-

    erators, two world records were achieved: The proton facility

    surpassed its own world record, with a new beam power of

    1.3 MW, and the SLS operating team announced a significant

    improvement of beam quality, resulting in a world-record low

    vertical emittance of 2.5 pm rad.

    For the time being, PSI fulfils all the criteria necessary for

    remaining amongst the world’s top research institutes for the

    next 20 years. For us, one such criterion is the development

    and construction of a novel and ambitious large-scale research

    installation for dynamical studies with femtosecond and

    atomic resolution: the free electron laser PSI-XFEL, whose

    commissioning is planned for 2016 (p. 7).

    As a good and longstanding tradition, I shall end this foreword

    with my sincere thanks: Thanks to the PSI staff, who have

    made everything possible on which we proudly report in this

    volume, and “Thank you” to our research and development

    partners in academia and industry worldwide, to our home

    canton of Aargau for its manifold support, and to the Board

    of the ETH and the Swiss Federal Government for their con-

    tinued support.

    Joël Mesot, Director

    Foreword 5

    “One of the key ingredients

    in the success story of PSI

    is the quality of its staff”

  • The PSI-XFEL is planned to be the next large-scale facility at the Paul

    Scherrer Institute and will contribute to the vitality of the laboratory

    during the coming decades. The project represents a continuation of

    PSI’s excellence in the field of synchrotron radiation research, estab-

    lished through the outstanding performance of the Swiss Light Source

    (SLS), which began operation in 2001.

    The PSI-XFEL will complement the SLS by being ideally suited for

    experiments where the combination of atomic spatial resolution and

    femtosecond temporal resolution is required – detailed images of

    atoms and molecules in motion will be captured for the first time.

    The PSI-XFEL will be one of the first national free-electron laser

    facilities worldwide that aims to produce coherent light with wave-

    lengths down to 1 Ångström. It will hopefully serve as a model for

    other national sources, since further projects of this type are a long-

    term necessity, given the limited number of experiments that can be

    installed at any one such facility.

    With the PSI-XFEL, Swiss and external users will have an excellent

    scientific instrument with which to perform novel investigations in

    the fields of chemistry, biochemistry, condensed matter physics and

    materials science.

    New concepts and innovative technical solutions have been incorpo-

    rated into the facility design to optimize performance and minimize

    cost. The low-charge concept, combined with an ultra-small electron-

    beam emittance, is the essence of this design. The higher longitudi-

    nal pulse compression required is realized with a newly-developed

    dual-frequency accelerating cavity. High-gradient and high-voltage

    acceleration systems are being developed to reduce space charge

    effects and to guarantee the required electron beam characteristics

    for the lasing process.

    PSI-XFEL

    8 XFEL – Project overview and new developments

    7

    Romain Ganter, scientist at the PSI-XFEL

    project, adjusting the intensity of

    the laser beam which will generate the

    electron beam in XFEL’s electron gun.

  • The PSI X-ray Free Electron Laser – XFEL

    Hans Braun, Romain Ganter, Marco Pedrozzi, Sven Reiche, Albin F. Wrulich, Free Electron Laser Project

    (PSI-XFEL), PSI; Leonid Rivkin, Department Large Research Facilities, PSI

    The exciting features of this novel light source will, for example, allow users to unravel the molecular structure

    of a protein and to effectively take a motion picture of a chemical process on the scale of femtoseconds (fs).

    X-ray light of unprecedented quality is needed to guarantee the accomplishment of these ambitious goals. This,

    in turn, requires an electron beam with high performance and sophisticated beam-handling. In the past year,

    important steps towards the technical realization of the facility were made, and the XFEL concept was further

    improved.

    Project overview

    In a Free Electron Laser (FEL), electrons are not bound to an

    atom, as in a conventional laser, and light is created by trans-

    verse acceleration of a relativistic electron beam in an undu-

    lator. In a conventional laser, coherence is created by a

    stimulated transition of the electrons from an excited state of

    the atom to the ground state, with a corresponding emission

    of light that forms a narrow bandwidth around a single wave-

    length (the shortest wavelength possible is in the VUV). In a

    FEL, coherence arises from the interaction of the emitted

    electromagnetic wave with the electron beam, and lasing

    wavelengths can be achieved continuously down to the hard

    X-ray regime.

    The generic elements of a FEL are a linear accelerator, a ra-

    diator constructed from several undulators, with beam focus-

    ing devices positioned between the undulator sections, and

    the photon beam distribution lines that house the experiments

    at their ends.

    Acceleration to high energies is necessary for two reasons.

    Firstly, the resonance wavelength of an undulator for a given

    (minimum feasible) period length is reduced with the square

    of the energy, i.e. short wavelengths require higher energies.

    Secondly, the electrons can only emit in the fundamental ra-

    diation mode if the beam size and divergence (expressed by

    their product, the emittance) are small. Fortunately, the trans-

    verse beam size (and emittance) of the electron beam in a

    linear accelerator decreases with increasing energy (adia batic

    damping). However, the latter condition requires high electron

    energies (and costly, long linear accelerators) for short lasing

    wavelengths.

    In addition to the requirement of a small electron beam cross-

    section, there is also the pre-condition that many particles

    are to be involved in the process, i.e. the charge density must

    be high. This is achieved by compressing the length of the

    electron bunch in the linear accelerator by a sequence of bunch

    compressors.

    In the PSI-XFEL, the acceleration process starts at the cathode

    of the electron gun. Two different electron guns are foreseen

    for the three undulator lines (Figure 1, Athos: 7 nm – 3 nm;

    Porthos: 3 nm – 0.7 nm; Aramis: 0.7 nm – 0.1 nm). Since the

    quality requirements are less stringent for the longer wave-

    lengths, a more conventional gun, based on photoemission,

    can be used here. For the baseline design incorporating the

    CERN CTF3 gun, an electron pulse (bunch) of 10 ps duration

    (fwhm) and a peak current of 22 A is extracted from a metallic

    Figure 1: Conceptual layout of the undulator lines.

    8 PSI-XFEL PSI Scientific Report 2008

  • or semiconductor surface by means of a laser beam. The

    cathode is placed on the axis of a 2½ cell, 3 GHz accelerating cavity, which immediately accelerates the electron bunch after

    extraction from the cathode. Solenoid and quadrupole mag-

    nets in the subsequent structure focus the beam, to minimize

    the emittance at the exit of the gun complex.

    For the second gun, several options are possible. The decision

    on which will be based on the success of ongoing R&D work.

    It will either be a newly-developed photo-electron gun or an

    alternative gun based on field emission arrays, where electrons

    are extracted from a surface by means of high electric field

    gradients (~ 5 GV/m). Such high gradients can be easily

    achieved if the field is applied to micro- or nano-structured

    surfaces where the field is strongly enhanced around tips with

    small apex radii. In order to mitigate space charge effects, the

    energy of the beam is rapidly increased by passing the beam

    through a high-voltage and high-gradient diode configuration,

    before entering the first RF accelerating structure. A newly-

    developed high voltage pulser is currently being tested and

    further developed. Different surface materials are being

    explored, to discover those which can sustain high surface

    gradients without breakdown. Since this concept relies on a

    longer initial pulse (40 ps fwhm with 5.5 A peak current), a

    higher compression is required to reach a sufficiently high

    peak current at the entrance to the undulator. This compres-

    sion starts in the first accelerating cavity, which is fed by two

    frequencies (1.5 GHz and 4.5 GHz). In this way, the longitudi-

    nal energy distribution in the beam can be suitably shaped to

    reach a very effective velocity compression. In the low relativ-

    istic regime, particles with different energies still have a

    notable difference in velocities. If they are arranged properly

    in energy along the bunch, they move towards the bunch

    centre, and the length is reduced.

    After the gun complex, the bunch can be directed into a diag-

    nostic line for complete characterization. A more conven-

    tional accelerating structure follows the gun and comprises

    four S-band structures of 4 m length, surrounded by focusing

    solenoids. The maximum accelerating gradient is 20 MV/m.

    In the test setup for this injector presently under construction,

    a bunch compressor will be placed at the end (250 MeV) for

    test purposes. In the final layout, an additional accelerating

    section will be added (Linac 1) in front of the bunch compres-

    sor, boosting the energy to 450 MeV. The higher energy will

    alleviate the risk of emittance dilution due to space charge

    effects in the bunch compressor. Linac 1 comprises two FODO

    cells, each of 10 m length, with two accelerating structures of

    2 m length between adjacent quadrupoles. One cell will pro-

    vide an energy increase of 120 MeV on crest, corresponding

    to an accelerating gradient of 30 MV/m.

    During the acceleration process prior to the bunch compressor,

    an energy chirp will be introduced in the beam. Particles with

    higher energies will be arranged at the tail of the bunch and

    particles with lower energies at the head of the bunch. Due

    to the nonlinearity of the 3 GHz accelerating field, the energy

    chirp is slightly too large in the head of the bunch and too

    small in the tail. Therefore an X-band (12 GHz) cavity is intro-

    duced before the bunch compressor to compensate for these

    deviations.

    The bunch compressor (BC1) consists of a sequence of four

    bending magnets, which create an orbit bump around the

    straight motion path in the linac. Since particles with higher

    energies are subject to a smaller deflection in the magnets,

    their orbit lengths are shortened. They are consequently

    moved from the tail towards the centre of the bunch. Simi-

    larly, the lower-energy particles at the head of the bunch ex-

    perience larger deflections that result in a lengthening of the

    orbit and a transition towards the bunch centre. The net effect

    after BC1 is that the length of the bunch is reduced from 10 ps

    (for the 200 pC mode) to 450 fs.

    The subsequent Linac 2 (with the same cell structure as

    Linac 1) raises the energy to 2.1 GeV. At this point, the second

    magnetic bunch compressor (BC2) is introduced, which re-

    duces the bunch duration to 30 fs, with a corresponding in-

    crease of the peak current to 2.7 kA. For the succeeding Linac 3,

    the transverse beam dimensions are already considerably

    smaller, due to the increased beam energy, permitting the

    distance between the focusing quadrupoles to be increased.

    One cell here is constructed from four two-metre-long accel-

    erating sections between two adjacent quadrupoles, and has

    a total length of 19 m.

    After Linac 3, the electron beam is extracted for the longer-

    wavelength FEL lines Athos and Porthos. The nominal energy

    at this point is 3.4 GeV, but will be reduced to 2.1 GeV for

    Athos by not powering Linac 3. It remains to be verified by

    simulations whether the focusing lattice can remain un-

    changed, since the quadrupole strengths are matched to a

    higher energy, otherwise a second extraction point after Linac 2

    will need to be inserted.

    Only for the 1 Ångstrom wavelength of Aramis is an addi-

    tional boost to 5.8 GeV required, provided by Linac 4, which

    uses the same cell structure as Linac 3.

    The electron beam quality is now sufficient for the lasing

    process as the beam enters the undulators. The emittance is

    reduced by adiabatic damping, and the bunch is longitudi-

    nally compressed.

    In principle, an electron transversally accelerated in a mag-

    netic field emits a broad spectrum of radiation. However, in

    an undulator the only wavelengths not to be eliminated by

    interference effects are those for which the electron beam lags

    behind the photon beam by one wavelength (or an odd integer

    multiple). Due to the long undulator structure, the intensity

    of the radiation steadily increases and becomes sufficiently

    PSI Scientific Report 2008 PSI-XFEL 9

  • strong to act back on the electron bunch. The transverse

    electric field of the emitted wave causes acceleration and

    deceleration of particles within the transversally moving

    electron bunch in the undulator, which imprints a micro-bunch

    structure onto the whole. The more this structure is enhanced,

    the more coherent the radiation becomes. At saturation, the

    waves emitted from the different micro-bunches are summed

    up in phase, leading to a tremendous increase in intensity of

    the transversally, fully coherent light.

    At the end of the undulator, a photon beam with 2.9 GW

    power is extracted from Aramis, with a pulse duration of

    40 fs at 1 Ångström wavelength.

    The photon beam is then distributed to the various experi-

    ments. At the exit of the undulator, no material can withstand

    the high power density, necessitating long expansion lines

    before optical elements can be positioned in regions of ac-

    ceptable heat load. Since X-ray mirrors have useful reflectiv-

    ity only at very small grazing angles, long optical lines with

    refocusing are required to guide the photon beam to the ex-

    periments.

    Project progress

    The PSI-XFEL project is being executed in three parallel devel-

    opments. Major emphasis is given to the realization of a low-

    emittance gun by exploring the ultimate limits of conven-

    tional photo-cathodes and investigating new options based

    on field-emission from needles and field-emitter arrays (FEA).

    Simultaneously, the injector of the XFEL facility is being built,

    which will integrate the major critical R&D elements of the

    project and allow their verification and optimization at an

    early stage. Finally, the configuration of the final XFEL facility

    is being developed and the civil engineering requirements are

    being specified.

    High-brightness electron beams

    Operation of the PSI-XFEL will start with a conventional

    photo-gun for the electron source. Simulations have confirmed

    satisfactory performance for both the hard and soft X-ray

    undulator beamlines. Eventually, after successful completion

    of the R&D, the driver system for the hard X-ray line will be

    equipped with a cathode based on field-emission from a

    needle or an FEA, embedded in a diode configuration for high-

    gradient and high-voltage acceleration.

    For the needle cathode, two independent emittance measure-

    ment methods have confirmed the target value of 0.2 µm.

    Further work is needed to reach the required charge and emis-

    sion current. A major step forward was made for FEAs by

    controlling the tip apex for homogeneous emission, and a

    production process for double-gated arrays (Figure 2) has

    been developed [1]. It could be demonstrated that the focus-

    ing gate has little effect on the emitted current, compared to

    the single-gated array. So far, the current is limited by the

    available accelerating voltage. A new test setup is being in-

    stalled to overcome this limitation.

    XFEL injector

    Construction of the 250 MeV injector for the FEL facility will

    allow the testing of critical technical developments, and the

    verification and optimization of their performance, at an

    early stage. For optimum performance, two complementary

    electron guns will feed the linear accelerator. Both gun con-

    cepts can be tested in the 250 MeV injector facility. Operation

    will start with the “CTF” photo gun (Figure 3) [2]. Emission

    from the cathode is driven by a Ti-Sapphire laser system, which

    allows longitudinal pulse-shaping and wavelength-tuning for

    the generation of minimum emittance.

    Figure 3: Injector configuration with the CTF gun.

    Figure 2: Double-gate

    field emitter.

    1 μm

    Figure 4: Injector building.

    10 PSI-XFEL PSI Scientific Report 2008

  • Construction of the 250 MeV injector is currently in progress

    and the procurement of magnets, accelerating structures,

    klystrons, modulators and laser systems has begun. Building

    construction is well underway (Figure 4) and will be com-

    pleted early in 2010.

    XFEL facility

    Extensive start-to-end simulations have been performed in

    order to consolidate the basic parameters and the configura-

    tion of the XFEL facility. Figure 5 shows the simulation results

    for Self Amplified Spontaneous Emission (SASE) at 1 Ångström

    wavelength.

    The three XFEL beamlines have been re-optimized to allow

    independent operation. For the soft X-ray undulator line,

    seeded operation is foreseen, possibly based on high-

    harmonic generation from a Ti-Sapphire laser [3]. This will

    enhance the longitudinal coherence of the XFEL pulse, even

    at wavelengths down to 1 nm, and render the XFEL operation

    more stable in both frequency and time. Provisions for short-

    pulse operation have been made, based on either laser-slicing

    or low-charge, “single-spike” operation (Figure 6).

    The consolidation of the XFEL configuration has allowed the

    preparation of a conceptual design of the building with ex-

    perimental hall and technical infrastructure. The orientation

    of the building has been slightly modified to increase the

    available space (Figure 7).

    The accelerator and the experimental hall will be completely

    below ground, with an underground supply area on top of the

    accelerator tunnel (Figure 8).

    For further information see: http://fel.web.psi.ch

    References

    [1] S. Tsujino et al., to be published.

    [2] R. Bossart, M. Dehler, Design of an RF-Gun for heavy

    beam loading, Proc. EPAC 96 (1996).

    [3] S. Reiche, PSI-XFEL Internal Report RS06–004 (2009).

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    Figure 5: Spectrum at saturation for SASE operation.

    Figure 6: “Single-spike” spectrum at saturation for 2 pC operation.

    Figure 8: Design study of the

    XFEL tunnel, with accelerator

    and technical gallery.

    Figure 7: Layout of the facility adjacent to the PSI site.

    Injector

    undulators Ex. hall545 m

    930 m

    PSI Scientific Report 2008 PSI-XFEL 11

  • Scientific strengths of the PSI-XFEL

    The photon energies of the PSI X-ray Free Electron Laser (XFEL)

    [1] will allow a wide range of investigations of matter at the

    molecular and atomic level (see Figure 1). Furthermore, the

    extremely short X-ray pulses (

  • will be possible to take “snapshots” of the instantaneous

    magnetization distribution in thin-film nanostructures, and

    hence to follow this process in detail.

    Unstable intermediates in surface catalysis

    Surface catalytic reactions play a central role in many indus-

    trial chemical processes, in clean energy production and in

    eliminating environmental pollutants. A typical reaction is

    shown schematically in Figure 3. In the presence of a heated

    substrate, reactant species go through a series of short-lived

    intermediate states, finally emerging as the desired product.

    Figure 3 illustrates a possible “THz pump / X-ray absorption

    spectroscopy probe” XFEL measurement, which will elucidate

    the chemical nature of intermediate states on a ps-ns time-

    scale [3].

    Protein structure from 2D-crystals

    Protein structure determines the function of the building

    blocks of life, and its knowledge permits the intelligent design

    of drugs to treat genetic diseases. Many clinically relevant

    proteins are membrane bound. Their 3D crystallization is dif-

    ficult and requires tedious optimization to yield well-diffract-

    ing crystals. With the PSI-XFEL, it should be possible to extract

    high-resolution structural data from diffraction experiments

    on two-dimensional crystals (see Figure 4), complementing

    the techniques of electron diffraction/microscopy [4]. Although

    each XFEL shot will locally destroy the sample, with a focus

    spot size of 100 nm and the 100 Hz repetition rate of the PSI-

    XFEL, it will be possible to reposition the sample between

    shots.

    References

    [1] http://fel.web.psi.ch

    [2] R. Hertel, S. Gliga, M. Fähnle, C.M. Schneider, Phys.

    Rev. Lett. 98 117201 (2007); J. Raabe et al., ibid 94

    217204 (2005).

    [3] H. Ogasawara, et al., Proc. 27th FEL Conf. (2005);

    A. Wokaun and I. Czekaj, private communication.

    [4] M. van Heel et al., Quarterly Rev. Biophys. 33

    307 (2000).

    [5] C. Kewish, P. Thibault, O. Bunk, F. Pfeiffer, submitted

    (2009).

    Figure 2: Predicted magnetic behaviour [2] at the centre of a

    Co-nanodisk, illustrating how a magnetic field pulse can change

    the direction of a vortex core from up (red) to down (green).

    Figure 4: A high-intensity XFEL pulse scatters on a 2D-membrane

    protein crystal. Sufficient scattered photons are collected to

    allow a structural solution before the pulse locally destroys the

    sample [5].

    Figure 3: The “Haber-Bosch” catalytic process for synthesizing

    ammonia. At the PSI-XFEL, such a reaction may be initiated

    with a THz pulse and probed at time τ later with soft X-ray spectroscopy [3].

    PSI Scientific Report 2008 PSI-XFEL 13

  • Introduction

    Operating an X-ray free electron laser at relatively low electron

    energy requires an electron beam of unprecedented bright-

    ness: the electrons must be as densely packed as possible

    yet still propagate on highly parallel trajectories. Since any

    irregularities in the electron beam from the source cannot be

    corrected further downstream, the quality of the electron

    source is of paramount importance. To explore and evaluate

    new concepts for the generation of ultra-bright electron beams,

    such as field-emitter arrays or needle cathodes, PSI initiated

    the Low Emittance Gun (LEG) project. (The emittance of a beam

    is a measure for how well it can be focused – the lower the

    emittance, the brighter the beam.) The centre-piece of this

    effort is the PSI-LEG test stand, located in the OBLA building.

    The installation was implemented in two phases, with elec-

    trons reaching energies of 500 keV and 4 MeV, respectively.

    Phase I: From 0 to 500 keV in 50 ps

    In its initial form, the PSI-LEG test stand consisted of a high-

    voltage pulser followed by a short diagnostic beamline. In this

    configuration, the test stand was in operation from December

    2007 until October 2008.

    The pulser generates a “diode” electric field between two

    metal electrodes (typically copper or stainless steel) sepa-

    rated by a variable gap of several millimetres. The electric field

    can reach up to 120 MV/m for the duration of about 250 ns.

    It accelerates electrons emitted at the cathode to a kinetic

    energy of approximately 500 keV in a few tens of picoseconds.

    At this energy, the influence of repulsive space-charge forces

    The PSI-LEG test stand is PSI’s test bed for the development of an ultra-bright electron gun based on a high-

    voltage pulser configuration. This is one of several promising candidate designs for the electron source to be

    used at the PSI X-ray Free-Electron Laser. Since the start of operation at the end of 2007, the test stand has

    provided important information on relevant materials and geometries. The facility was recently upgraded with

    the addition of a radio-frequency cavity to accelerate electrons up to 4 MeV.

    T. Schietinger, B. Beutner, R. Ganter, C. Gough, C. P. Hauri, R. Ischebeck, S. Ivkovic, Y. Kim, F. Le Pimpec,

    K. B. Li, P. Ming, A. Oppelt, M. Paraliev, M. Pedrozzi, V. Schlott, B. Steffen, A. F. Wrulich, Free Electron Laser

    Project (PSI-XFEL), PSI

    The PSI-LEG test stand

    Figure 1: The tungsten mask (“pepper-pot”) intercepting the

    electron beam...

    Figure 2: ...and the resulting electron density as imaged by

    a screen further downstream. The fuzziness of the image is a

    measure of the beam emittance.

    14 PSI-XFEL PSI Scientific Report 2008

  • is considerably reduced. The emission of electrons from the

    metal cathode is either triggered by the electric field itself

    (field emission), or by a UV laser beam shining onto the cath-

    ode for a few picoseconds (photo-emission). The fraction of

    photons that produce free electrons is called the quantum

    efficiency, an important characteristic of the cathode mate-

    rial. The laser beam enters the diode through a small hole in

    the anode (the iris). Through the same iris, the accelerated

    electrons are allowed to leave the diode gap and enter the

    diagnostic beamline. A series of solenoid magnets and screens

    then allows detailed characterization of the electron beam.

    The emittance of the beam is determined either from the

    observation of the beam size under progressively stronger

    solenoid focusing or, more precisely, from the overall beam

    size and the local uncorrelated divergence. The latter is esti-

    mated with the so-called “pepper-pot” method, in which the

    beam is sent through a tungsten mask pierced with an array

    of small holes, much like the top of a pepper shaker (Figure1).

    The broadening of the electron distribution emerging from

    each hole is a direct measure of the local, uncorrelated diver-

    gence of the beam (Figure 2).

    Operation of the test stand during Phase I resulted in a wealth

    of information important to the further development of the

    programme. In particular, a wide range of cathode materials

    was investigated with regard to quantum efficiency and high-

    est field gradient achievable with and without laser irradiation.

    Electrodes made from diamond-like carbon were shown to

    withstand up to 240 MV/m without, and 100 MV/m with, laser

    irradiation. The maximum extracted charge was 200 pC, when

    using a powerful Nd:YAG laser of 262 nm wavelength. The

    setup also allowed an accurate measurement of the so-called

    thermal emittance of the electron beam emerging from a

    metal cathode. This is the residual emittance arising from the

    thermal motion of the electrons inside the cathode prior to

    emission.

    Phase II: Surfing to 4 MeV

    To increase the beam energy into the MeV range, a radio-

    frequency cavity was added to the test stand during a major

    upgrade (Figure 4). The beamline now measures some five

    metres in length and includes a dispersive branch for momen-

    tum measurements (Figure 3). Installation was completed in

    December 2008, and first beam was observed in early January

    2009. The new setup will give valuable insights as to how the

    emittance of the generated electrons can be preserved up to

    higher energy.

    An entirely re-designed laser system will provide laser pulses

    of tuneable wavelength, thus allowing the study of beam

    emittance as a function of photon energy. Last but not least,

    the experience gained by operating the PSI-LEG will be of great

    value for the commissioning of the much larger future facilities

    that are planned in the context of the PSI-XFEL project.

    Figure 4: Close-up of the cathode (magenta), anode (yellow) and

    two-cell cavity (silver).

    Figure 5: Proud members of the PSI-LEG team posing in front

    of the beamline shortly before its upgrade to the 4 MeV

    configuration.

    Figure 3: Schematic layout of the PSI-LEG test stand with the full

    4 MeV beamline.

    PSI Scientific Report 2008 PSI-XFEL 15

  • Examples from PSI’s research portfolio in 2008 are presented on the

    following pages, but this is only a very small sample of the cutting-

    edge research being performed at the Institute.

    A large number of results in various fields of science have been obtained

    at PSI’s large-scale facilities; for example, research at SLS provided

    insights into the structures of novel nanomaterials, the inner workings

    of photocatalysts and processes in biomolecules. The fascinating in-

    teractions between superconductivity and magnetism were among the

    topics investigated with muons and neutrons.

    The development of a new process for turning wet biomass into meth-

    ane, and thus making the solar energy stored in these materials avail-

    able for use in households and vehicles, is but one example of PSI’s

    activities towards a sustainable energy supply. In the field of nuclear

    energy and safety, current research projects include the investigation

    of the geological conditions required for the storage of nuclear waste

    and the development of methods for monitoring material fatigue in

    nuclear power plants.

    In environmental research, information gained from an ice core drilled

    in the Siberian Altai Mountains showed the influence of solar activity

    and greenhouse gases on the local climate, and a new method devel-

    oped by researchers from PSI and ETHZ will allow even more precise

    dating of ice cores in the future.

    Activities in the medical field covered a very broad range, from fun-

    damental research into the origins of various diseases to the treatment

    of actual patients at the proton therapy facility. The year 2008 was

    the first year of continuous patient treatment at Gantry 1, as well as

    a year of considerable progress in the development of future facilities

    and technologies for proton therapy at PSI.

    Research focus and highlights

    18 Synchrotron light

    28 Neutrons and muons

    36 Particle physics and nuclear chemistry

    42 Micro- and nanotechnology

    46 Biomolecular research

    50 Radiopharmacy

    54 Large research facilities

    56 Proton therapy

    60 General energy

    70 CCEM-CH

    72 Nuclear energy and safety

    86 Environment and energy systems analysis

    17

    Reto Flückiger, PhD student in the

    Electrochemistry Laboratory,

    preparing a tomography experiment on

    gas diffusion layers for fuel cells.

  • Structure and trapping properties of corrugated monolayers – new results from across the SLS

    Domenico Martoccia, Matts Björck, Christian Schlepütz, Stephan Pauli, Bruce Patterson, Philip Willmott,

    Hugo Dil, Luc Patthey, Swiss Light Source (SLS), PSI; Jorge Lobo-Checa, Nanolab, University of Basel;

    Simon Berner, Thomas Brugger, Jürg Osterwalder, Thomas Greber, Physics Institute, University of Zurich

    The physical properties of the isoelectronic, two-dimensional structures of graphene and hexagonal boron-nitride

    are complementary and may also in combination become technologically useful. On solid supports, both devi-

    ate from a perfectly flat honeycomb structure and provide the possibility to functionalize them as templates for

    nanoscaled arrays among other applications. Structural and electronic studies of these systems performed at

    the Swiss Light Source have provided new insights for their potential use in areas as diverse as molecular

    recognition, nanoarrays, and novel electronic device fabrication.

    Graphene and hexagonal boron-nitride (h-BN) are honeycomb

    structures that can be grown as single layers, or “sheets”, on

    crystalline substrates. The bonding between these sp2-hybrid-

    ised, two-dimensional structures and the substrate varies

    periodically, due to a moiré-like interference caused by differ-

    ences in their respective in-plane lattice constants. As a

    consequence, the atomic sheets become corrugated, resulting

    in features with periods of a few tens of Ångströms. They are

    characterised by pronounced and separated triangular eleva-

    tions on a hexagonal network in the case of graphene, but in

    h-BN the elevations are more hexagonal with wire-like con-

    nected rings, and is thus referred to as a “nanomesh”. Their

    future use as nanotemplates for molecular arrays and in

    recognition of macromolecules is a tantalizing prospect that

    can be better assessed only by a deeper understanding of

    their structures and electronic properties. With this in mind,

    studies of these systems have been performed at the Surface

    Diffraction Station and Surface and Interface Spectroscopy

    Beamline of the Swiss Light Source.

    Graphene on Ruthenium

    Initial studies of graphene on Ru(0001) (g/Ru) using tech-

    niques such as scanning tunneling microscopy and low-ener-

    gy electron-diffraction produced mutually contradictory re-

    sults: two different structures were proposed – one in which

    (1212) graphene hexagons lie on (1111) Ru unit cells

    (denoted henceforth as 12-on-11) [1], and another suggesting

    an 11-on-10 structure [2]. None of these studies, however,

    had the necessary spatial sensitivity to unambiguously resolve

    this inconsistency. Only surface X-ray diffraction (SXRD) has

    the necessary resolution (approximately two parts in ten-

    thousand of an in-plane reciprocal lattice unit), and hence

    SXRD studies were performed on g/Ru at the Materials Science

    beamline of the SLS.

    Surprisingly, in-plane SXRD measurements showed that the

    moiré structure agrees with neither of those previously pro-

    posed, but is in fact unambiguously 25-on-23, having a pe-

    Figure 1: (a) The vertical displacement field (in Å) of the corruga-

    ted supercell of graphene on Ru, which consists of four, not

    quite identical, subunits; (b) The ruthenium substrate is also

    slightly corrugated, in antiphase to the graphene.

    18 Research focus and highlights – Synchrotron light PSI Scientific Report 2008

  • riodicity of over 60 Å [3]. This superstructure comprises four

    translationally inequivalent (but nonetheless nearly identical)

    subunits [see Figure 1(a)] with chemistries very similar to that

    of the initially proposed 12-on-11 structure.

    Out-of-plane measurements along superstructure rods showed

    pronounced oscillations and indicated both strong out-of-

    plane corrugation of the graphene with an amplitude of 1.4Å,

    and also a weaker corrugation of the Ru. More recent analysis

    of the data using a parametric approach implemented in GenX,

    which uses a genetic algorithm [4], shows that the corrugation

    of the Ru is 180o out of phase with that of the graphene

    [Figure 1(b) and [5]].

    Dipole rings in the h-BN nanomesh

    h-BN nanomeshes on Rh(111) and on Ru(0001) were also

    studied using SXRD and showed registries of 13-on-12 [6] and

    14-on-13, respectively [7]. Strong modulations of the super-

    structure rods also indicate significant modulations of the

    h-BN and substrate. This corresponds well to STM studies of

    h-BN on Rh, where a clear corrugation of the surface was

    observed [8].

    In contrast to graphene, the h-BN nanomesh is not a metal [9]

    and a difference in the electronic and electrostatic landscape

    between the regions close to the substrate (holes) and those

    further away (wires) is expected. These differences can be

    measured by angle-resolved photoemission-spectroscopy

    (ARPES). The difference in electronic structure between the

    holes and wires is reflected in a splitting of the σ bands [Figure 2(a)], but because of the absence of any states at the Fermi

    level this has no immediate effect on the lateral electrical

    resistance. However, this splitting reflects the different elec-

    trostatic potentials in the holes and on the wires. This differ-

    ence in the local work function can also be probed through

    the adsorption of a closed shell species such as xenon, as is

    visible from the different core-level lines for adsorbed Xe in

    the holes and on the wires [H and W in Figure 2(a)].

    The difference of 300 meV in electrostatic energy at the Xe

    atom sites indicates a lateral local electrostatic field on the

    rims of the holes. This dipole field locally enhances the bond-

    ing of atoms or molecules that may be polarized. In order to

    test this hypothesis, we performed thermal-desorption spec-

    troscopy measurements on adsorbed Xe. Detailed analysis of

    the respective Xe core-level intensities on the holes and wires

    as a function of temperature [Figure 2(a)] indicates that the

    Xe bond energy on the holes and the wires is almost the same,

    except for the last 12 Xe atoms in every hole. These Xe atoms

    form a ring at the rim of the holes, where the dipole field is

    strongest, and are trapped there up to significantly higher

    temperatures [10].

    These results indicate that every hole of the nanomesh has a

    dipole ring which significantly enhances its trapping potential.

    This is further illustrated by the ability to trap Cu-phthalocy-

    anine (Cu-Pc) molecules at room temperature, as shown in

    Figure 2(b). As on most other substrates, the molecules can

    move within the holes, resulting in the diffuse shapes. How-

    ever, they cannot cross the dipole ring once they are trapped.

    Similar trapping mechanisms are expected for all molecules

    and atoms, where the maximum trapping temperature de-

    pends on their size and polarizability.

    The h-BN nanomesh is robust in air and even water, thus with

    the regular spacing of the dipole rings and the relatively easy

    preparation of large-scale samples the technological relevance

    of more than 1011 molecular traps per square mm is self-evi-

    dent.

    References

    [1] S. Marchini et al., Phys. Rev. B 76 075429 (2007).

    [2] A. L. Vázquez et al., Phys. Rev. Lett. 100 056807 (2008).

    [3] D. Martoccia et al., Phys. Rev. Lett. 101 126102 (2008).

    [4] M. Björck, G. Andersson, J. Appl. Cryst. 40 1174 (2007).

    [5] D. Martoccia et al., unpublished.

    [6] O. Bunk et al., Surf. Sci. 601 L7 (2007).

    [7] D. Martoccia et al., unpublished.

    [8] M. Corso et al., Science 303 217 (2004).

    [9] T. Brugger et al., Phys. Rev. B 79 045407 (2009).

    [10] H. Dil et al., Science 319 1824 (2008).

    Figure 2: (a) Three-dimensional rendered photoemission data set

    of the desorption of Xe from the h-BN nanomesh on Rh(111);

    (b) STM image of Cu-Pc molecules trapped in the holes of the

    nanomesh at room temperature.

    PSI Scientific Report 2008 Research focus and highlights – Synchrotron light 19

  • X-ray absorption spectroscopy (XAS) has long been estab-

    lished as a precise method of measuring local structure in

    disordered systems such as molecular systems in solution.

    This technique has recently been introduced into the domain

    of ultrafast science where the electronic and nuclear dynam-

    ics of molecules and crystals are examined on the time scales

    of atomic motion [1, 2]. In the present investigation, ultrafast

    XAS has been used to examine the photocatalytic excited state

    of the [Pt2(P2O5H2)4]4– (PtPOP) anion (see Figure 1) dissolved

    in ethanol.

    Time-resolved X-ray absorption spectroscopy

    An X-ray absorption spectrum is obtained by measuring either

    the transmission or total fluorescence of a sample as a func-

    tion of incident X-ray photon energy. A typical measurement

    allows the reconstruction of atomic distances on the scale of

  • Measurements were performed at the MicroXAS beamline at

    the Swiss Light Source by exciting a 10 mM PtPOP solution in

    ethanol with 100 fs laser pulses at 390 nm and probing at the

    Pt L3 absorption edge (11.56 keV). The transient XAS spectrum

    (excited minus unexcited), shown in Figure 2a, directly reflects

    the electronic and structural changes that occur 150 ns after

    excitation. In this study, the EXAFS region of the XAS spectrum

    has been exploited to determine the excited-state structure

    of PtPOP.

    Retrieving excited-state structures

    The ability to retrieve photoinduced structural changes with

    high accuracy is based on a rigorous model-based fitting ap-

    proach. By including prior knowledge in the form of physi-

    cally reasonable distortion models, the number of free fitting

    parameters can be reduced considerably, allowing the intro-

    duction of additional parameters, such as the photoexcited

    population and the energy shift between excited and ground-

    state XAS spectra, which are typical for time-resolved XAS

    analyses and often difficult to obtain by independent methods.

    The general procedure followed is to first obtain accurate

    structural values for the ground state of the system, then to

    use these values as a starting point for the excited-state

    structure. By making physically reasonable changes to the

    ground state structure according to a specific distortion

    model, then simulating the EXAFS spectrum for the new

    structures, the resulting transient EXAFS spectra can be cal-

    culated by subtracting the ground-state fit. For each excited-

    state structure, the difference between the experimental and

    simulated transient spectra can be minimized by introducing

    fitting parameters such as the energy shift and the photoex-

    cited population. This procedure can then be repeated with

    various realistic structural distortion models that all involve

    a contraction along the Pt-Pt axis, allowing the result to con-

    verge to the smallest difference between experiment and

    calculation.

    In this way, the best fit was obtained for a Pt-Pt contraction

    of 0.31(6) Å and a Pt-ligand elongation of 0.013(5) Å (see

    Figure 2) [5]. The latter is larger than just resulting from the

    Pt-Pt contraction, which indicates that the coordination bonds

    are weakened upon the Pt-Pt bond formation in the excited

    state. This small Pt-P elongation has been predicted by DFT

    calculations [4], but this represents the first experimental

    confirmation of such a structural change and illustrates the

    sensitivity of both time-resolved XAS as a technique to resolve

    excited-state structures and the analysis procedure used.

    Remarkably, the bridging P-O-P ligands do not follow the Pt

    atoms in the contraction movement, which supports the

    weakening of the Pt-P bonds and the rigidity of these bidentate

    ligands. In addition, the analysis indicates an excitation

    population of 7% and a zero energy shift. Both of these con-

    clusions seem accurate: optical measurements indicate an

    excited-state contribution of approximately 8%, and no en-

    ergy shift of the excited-state X-ray absorption spectrum is

    expected as the photoexcitation does not affect the charge

    density on the Pt atoms.

    It should be emphasized that the present transient EXAFS

    analysis goes beyond the simple determination of nearest-

    neighbour distances. By using a model-based fitting approach,

    a more global picture of the excited molecule can be obtained.

    Application of this analysis technique to other photocatalytic

    systems should provide a wealth of information not directly

    available through other methods.

    References

    [1] C. Bressler et al., Chem. Rev. 104 1781 (2004).

    [2] C. Bressler et al., Science 323 489 (2009).

    [3] R. M. van der Veen et al., CHIMIA 62 287 (2008).

    [4] I.V. Novozhilova et al., J. Am. Chem. Soc. 125 1079

    (2003).

    [5] R. M. van der Veen et al., Angew. Chem. Int. Ed.

    48 2711 (2009).

    Figure 2: a) Static Pt L3 XAS spectrum of PtPOP in solution (black

    line, left axis) and the transient (excited – unexcited) XAS

    spectrum (red circles, right axis, same units as left) integrated up

    to 150 ns after excitation; b) Transient EXAFS data (circles)

    and best fit (solid line, see text). The best-fit structural distor-

    tions are indicated in the upper right corner.

    PSI Scientific Report 2008 Research focus and highlights – Synchrotron light 21

  • Transfer of information is a basic property of biological sys-

    tems, with common examples including the transfer of

    genetic information or nerve impulses. The transmission of

    signals occurs at an even more fundamental level and is

    mediated by signaling molecules, which bear a phosphate or

    a sulfate group. Since these processes are of supreme impor-

    tance, they have been extensively studied and a number of

    mechanisms and related protein structures have been

    revealed. ASST is unusual amongst sulfuryl transfer enzymes

    in that it exhibits a previously unknown three-dimensional

    structure. This novel topography was revealed by X-ray crystal-

    lography at the SLS [1].

    The crystal structure of ASST, at 2 Ångström resolution, re-

    vealed that ASST contains an extremely unusual disulfide

    bond. In ASST, this bond is characterised by an extremely

    short distance between the two linked cysteine residues and

    a high steric strain, which we believe can only be efficiently

    formed by the action of the disulfide bond formation machin-

    ery genetically associated with ASST [2]. This disulfide bridge

    is a prerequisite for proper folding of this protein and could

    also play a role in regulating its catalytic activity. More striking

    than this unusual disulfide bond geometry, however, was the

    overall structure of ASST. This consisted of two equal propel-

    ler-like parts which contain active sites in the central funnel

    formed by the beta-sheet ‘blades’ of each of the propellers.

    Such a fold has never before been observed for a sulfotrans-

    ferase, leading to fundamental questions regarding the struc-

    ture-function relationship of ASST.

    In order to answer these questions, two complementary

    approaches were adopted: we replaced individual amino

    acids and probed the biophysical properties of these mutant

    forms of ASST, while concomitantly treating the native form

    of ASST with molecules acting as sulfuryl-donors and solving

    the crystal structure of these native intermediates. Mutations

    of ASST showed five nitrogen-containing amino-acids to be

    essential for function.

    These residues build a reaction cage which accommodates

    both the donor and the acceptor of the sulfuryl group. Fur-

    thermore, during sulfotransfer, the sulfuryl group is directly

    (covalently) bound to a histidine side chain of ASST. Thus, the

    signal is first transferred from the donor to ASST and subse-

    quently from ASST to the acceptor. Such a ping-pong mecha-

    nism is unique in the processes of sulfuryl transfer.

    As a number of histidine residues surround the active site of

    ASST, in order to clarify the catalytic role of each residue,

    Together with researchers from ETH Zurich, we have shed light on the protein aryl-sulfate sulfotransferase

    (ASST), present in pathogenic E. coli bacteria, which cause urinary tract infections. In addition to an entirely

    new structure, we uncovered a transfer mechanism similar to ping-pong, whereby the “ball” is kept in a previ-

    ously unknown way.

    Robin L. Owen, Clemens Schulze-Briese, Swiss Light Source, PSI; in collaboration with Goran Malojc̆ić,

    John P. A. Grimshaw, Maurice S. Brozzo, Hiang Dreher-Teo and Rudi Glockshuber, Institute of Molecular Biology

    and Biophysics, ETH Zurich

    Structural and biochemical basis for novel sulfuryl transfer mechanism

    Figure 1: Ribbon diagram highlighting the β-propeller fold of ASST. The six blades of the propeller are individually coloured

    while the small N-terminal β-sandwich domain is yellow.

    22 Research focus and highlights – Synchrotron light PSI Scientific Report 2008

  • electrospray ionization mass spectrometery was performed

    on both the native and sulfurylated forms of the enzyme.

    Together with the crystal structure of native ASST, results from

    these experiments clearly demonstrated that His-436 is the

    residue that undergoes transient covalent sulfurylation during

    catalysis. Structural analysis of the two intermediate forms of

    ASST showed, for the first time, this high-energy sulfuryl-

    histidine intermediate state, confirming the proposed ping-

    pong reaction pathway.

    The experiments summarised here provide a basis for under-

    standing sulfuryl transfer in a manner independent of the

    universal sulfuryl donor (adenosine 3’-phosphate-5’-phos-

    phosulfate, PAPS) in mammals, opening up medically interest-

    ing perspectives. ASST is a promising target for antibacterial

    drugs, and together the crystal structures and biochemical

    data provide a basis for drug design targeting this virulence

    factor.

    It is also interesting to note that these insights were only made

    possible by combining crystallographic, spectroscopic [3], and

    other biochemical methods. An advanced form of mass spec-

    trometry, combined with multiple crystallographic models

    enabled us to understand the architecture of the active site

    and thus elucidate the catalytic pathway of the enzyme.

    The complete account of the work described here can be found

    in reference [1].

    References

    [1] G. Malojc̆ić, R. L. Owen, J. P. A. Grimshaw, M. S. Brozzo,

    H. Dreher-Teo and R. Glockshuber, PNAS, 105

    19217–19222 (2008).

    [2] J. P. A. Grimshaw et al., J Mol Biol, 380 667–680 (2008).

    [3] R. L. Owen et al., J Synchrotron Rad, 16 173–182 (2009).

    Figure 2: Close view of the central funnel of native ASST showing a sulfuryl group in the active site. A full understanding of the active

    site was only possible after combining multiple crystallographic and biochemical experiments.

    PSI Scientific Report 2008 Research focus and highlights – Synchrotron light 23

  • During lung development, the airways and an extensive gas

    exchange area have to be formed. The development usually

    starts with the appearance of two lung buds. At the terminal

    ends of the buds, a repetitive process starts where elongation

    of the future airways alternates with branching. After approx.

    20 rounds of outgrowth and branching, the ducts and parts

    of the respiratory airways are formed. During alveolarization,

    the gas exchange area is further enlarged by a subdivision of

    the terminal air spaces by the formation of new septa. One

    leaflet of the double-layered capillary network inside the exist-

    ing septa folds up and gives rise to a new double-layered

    capillary network within the newly forming septa (Figure 1,

    A–C). Later, during microvascular maturation, the double-

    layered capillary network of the alveolar septa is reduced to

    a single-layered one (Figure 1D). Currently, it is believed that

    after this phase the lifting off of new septa from preexisting

    ones is excluded due to the missing second capillary layer.

    Consequently, after microvascular maturation is completed,

    the enlargement of the gas exchange area will be achieved by

    lung growth and not by addition of new alveolar septa. By the

    same token, a mature alveolar septum, once lost, will most

    likely not be reformed. Therefore, a noteworthy amount of

    lung regeneration is excluded, according to this view. The time

    when alveolarization in humans stops is not well-defined and

    has been discussed for decades. Currently, many agree on an

    age of 2–3 yr [1] whereas older data suggested that the forma-

    tion of new alveoli ceases at ca. 8 yr or even at 16–18 yr of

    age [2]. Nevertheless, one question remained open: how may

    new alveoli be formed at a later time point? It has been pro-

    posed that (i) late alveolarization may take place in subpleu-

    ral areas where a double-layered capillary network is not re-

    quired or (ii) late alveolarization may follow a different,

    unknown mechanism. So far, alveolarization after the phase

    of microvascular maturation is on debate, and the question

    on how any form of “late” alveolarization may take place re-

    mains open.

    The large clinical relevance of late alveolarization inspired us

    to follow two directions. First, we applied a stereological

    method by estimating the length density of the alveolar en-

    trance rings and developed a novel approach to follow the

    formation of new alveolar septa throughout lung development

    and growth. Second, we were wondering how the requirement

    We have been challenging the historical view of lung development which states that the formation of new

    alveolar septa from preexisting ones ceases due to the reduction of a double- to a single-layered capillary

    network inside the alveolar septa. Synchrotron-based tomographic microscopy investigations of developing rat

    lungs have shown that new alveolar septa are forming until young adulthood – mainly by lifting off from mature

    septa containing single-layered capillary networks. This newly discovered second phase of lung alveolarization

    imposes new precautions when using drugs influencing structural lung development.

    Marco Stampanoni, Swiss Light Source (SLS), PSI and Institute for Biomedical Engineering, ETH Zurich and

    University of Zurich; Sonja Mund, Johannes Schittny, Institute of Anatomy, University of Bern

    Unfolding the lung: understanding the alveolarization process

    Figure 1: Formation of new septa during classical alveolarization

    (A-C) and microvascular maturation (D).

    24 Research focus and highlights – Synchrotron light PSI Scientific Report 2008

  • of a double-layered capillary network inside the existing

    alveolar septa may be overcome. For this purpose, we studied

    3D tomographic data sets of vascular casts of rat lungs ob-

    tained at the TOMCAT beamline of the SLS.

    Figure 2 shows the lumen of the capillaries. Inside the cavity

    of an alveolus, the up-folding of the single-layered capillary

    network is observed (blue dashed lines in A, C, and E). The

    folding is indicative of the formation of a new septum. The 3-D

    visualization enabled us, for the first time, to look at the re-

    verse side of the same septum (B, D, and F). At the basis of

    the folding, we detected a local duplication of the existing

    capillary network (covering of the blue dashed line in B, D,

    and F). Whereas most duplications are already formed in these

    examples (arrowhead), one is most likely just forming by

    sprouting angiogenesis (arrow in B). In addition, (forming)

    tissue posts inside the capillary network (holes in the vascu-

    lar cast, green asterisk) are indicative for intussusceptive

    angiogenesis (the growth of the capillary network to allow the

    up-folding).

    We were able to show that the requirement of a double-layered

    capillary network at the site of septation is still valid; how-

    ever, the two layers do not have to be preexisting as cur-

    rently postulated, but they may be formed rapidly and locally

    by angiogenesis when needed. Because microvascular matu-

    ration takes place during alveolarization, we defined the entire

    time when new septa/alveoli are formed during lung develop-

    ment and growth as “developmental alveolarization”. This

    term distinguishes the developmental processes from any

    kind of lung regeneration, which we called “regenerative al-

    veolarization”.

    Synchrotron-radiation tomographic microscopy was essential

    for the structural understanding on how new alveoli are formed

    throughout lung development and growth. We could show

    that new alveoli are formed not only before, but also after, the

    maturation of the alveolar microvasculature. During the latter,

    the requirement of a double-layered capillary network at the

    site where a new septum will be formed is overcome by a local

    duplication found at the sides of septation. Most likely, many

    of these duplications were not preexisting. We defined the

    classically described alveolarization “phase one of develop-

    mental alveolarization” and the newly described form “phase

    two”. Until now, the understanding of phase two is based on

    structural evidence only. However, due to its clinical signifi-

    cance, we believe that these structural findings will be the

    starting point for investigations of the molecular mechanisms

    involved. The description of phase two will most likely force

    us to rethink our views of (i) lung regeneration and of (ii) side

    effects on the structure of the lungs during the treatment of

    children and adolescents with glucocorticoids and retinoids.

    References

    [1] J. H. Caduff, L. C. Fischer and P. H. Burri, Scanning

    electron microscopic study of the developing

    microvasculature in the postnatal rat lung, Anat Rec 216

    154–164 (1986).

    [2] E. R. Weibel, Morphometry of the Human Lung

    (Springer-Verlag, Heidelberg, 1963).

    [3] J. C. Schittny, S. I. Mund and M. Stampanoni, Evidence

    and structural mechanism for late lung alveolarization,

    Am J Physiol Lung Cell Mol Physiol 294 L246–L254

    (2008).

    Figure 2: 3D visualizations of the capillary network of single

    alveoli. The entrances of the alveoli are labeled with a yellow

    dotted line. Mercox vascular casts of 21-day-old rat lungs

    were imaged at 12.6 keV with a pixel size of 0.7 microns. Scale

    bars are 10 microns. See text for details.

    PSI Scientific Report 2008 Research focus and highlights – Synchrotron light 25

  • Synchrotron radiation X-Ray powder diffraction (SR-XRPD)

    experiments require detection systems with low noise, high

    dynamic range and high angular (FWHM) and d-spacing reso-

    lution. These requirements can only be fulfilled by single-

    photon counting systems with high granularity [1]. The

    MYTHEN detector (Microstrip sYstem for Time rEsolved ex-

    perimeNts) has been designed to fulfil all these demands and,

    furthermore, to perform time-resolved measurements. High-

    resolution powder diffraction patterns acquiring 120° in 2θ can be collected in a fraction of a second.

    Detector description

    The MYTHEN detector consists of more than 30,000 independ-

    ent channels (µstrips) working in parallel and positioned at

    760 mm from the centre of the diffractometer, with a pitch of

    50 µm. This results in an intrinsic detector angular resolution

    of 0.004° [2].

    The detector is based on a silicon micro-strip sensor absorb-

    ing the diffracted X-rays and coupled to a custom-made inte-

    grated circuit [3].

    Thanks to its single-photon counting capability, the detector

    is virtually noiseless and has a dynamic range of up to 24 bits.

    The fluctuation in the number of detected photons is purely

    Poisson-like, and thus the data quality is maximized, with low

    statistics. The low noise of the front-end electronics allows

    the detection of photons of energy down to 5 keV, while the

    short shaping time of the analogue signal permits counting

    rates of up to 1 MHz/channel. The channels are read out in

    parallel, with an inter-frame dead time of 0.3 ms. The maximum

    frame rate of the whole detector is limited by the data transfer

    rate and is about 10 Hz for the whole detector (increasing to

    300 Hz for a 5° partial readout and 16 bits dynamic range).

    Acquisition times down to 100 ns are possible and can be

    synchronized to users’ experiments using external signals. A

    small on-board memory can store 4 to 32 frames in real time,

    depending on the dynamic range. Data acquisition with

    MYTHEN is possible through a user-friendly graphical interface

    and is completely integrated in the beamline control system.

    An upgraded version of MYTHEN was installed at the SLS

    powder diffraction station in July 2007 and has been available

    for users since the beginning of 2008, providing excellent

    data quality.

    Applications

    Some examples of experiments showing the outstanding

    performance of the MYTHEN detector are:

    1) Bragg crystallography

    MYTHEN has worked remarkably well, not only for time-re-

    solved applications but also for structural solution and refine-

    ment. Here, time resolution is usually not relevant and, there-

    fore, the intensity of the incoming photon beam is generally

    sacrificed to achieve an optically aberration-fre